3-(5-chloranylpyridin-3-yl)-8-(2-methylpropyl)-8-azabicyclo[3.2.1]oct-6-ene-3-carbonitrile

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-8-(2-methylpropyl)-8-azabicyclo[3.2.1]oct-6-ene-3-carbonitrile Openeye Name: 3-(5-chloro-3-pyridyl)-8-isobutyl-8-azabicyclo[3.2.1]oct-6-ene-3-carbonitrile CAS Name: 3-(5-chloro-3-pyridinyl)-8-(2-methylpropyl)-8-azabicyclo[3.2.1]oct-6-ene-3-carbonitrile IUPAC Name: 3-(5-chloropyridin-3-yl)-8-(2-methylpropyl)-8-azabicyclo[3.2.1]oct-6-ene-3-carbonitrile Traditional Name: 3-(5-chloro-3-pyridyl)-8-isobutyl-8-azabicyclo[3.2.1]oct-6-ene-3-carbonitrile Formula: C17H20ClN3 MolecularWeight: 301.8138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2CC(CC1C=C2)(C#N)C3=CC(=CN=C3)Cl

Isomeric SMILES

CC(C)CN1C2CC(CC1C=C2)(C#N)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C17H20ClN3/c1-12(2)10-21-15-3-4-16(21)7-17(6-15,11-19)13-5-14(18)9-20-8-13/h3-5,8-9,12,15-16H,6-7,10H2,1-2H3